Chromate is a problematic pollutant and ferrihydrite is a common adsorbent of oxyanions in the environment. This study modeled chromate adsorption onto model ferrihydrite to assess the energetics of various surfaces complexes (i.e., monodentate, bidentate binuclear, outer-sphere). The structure of the surface complexes are examined in comparison to observed EXAFS data, and the electronic structure is derived to test for electron redistribution upon adsorption of chromate from the aqueous phase. Implications for the behavior of chromate in the environment and for potential adsorption-based remediation are discussed.

Modeling CrO<sub>4</sub><sup>2-</sup> adsorption onto ferrihydrite

251st National Meeting (2016)

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Modeling CrO42- adsorption onto ferrihydrite

Modeling CrO₄^2- adsorption onto ferrihydrite